8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C19H24N6 — CID 97094551

IUPAC8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@@H]1CN(CCCc2ccccc2)CCN1c1nccn2cnnc12
InChIInChI=1S/C19H24N6/c1-16-14-23(10-5-8-17-6-3-2-4-7-17)12-13-25(16)18-19-22-21-15-24(19)11-9-20-18/h2-4,6-7,9,11,15-16H,5,8,10,12-14H2,1H3/t16-/m1/s1
InChIKeyXBZWGSKPGHBHAC-MRXNPFEDSA-N
MW336.44 g/mol
LogP2.27
Rot. Bonds5

About 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 97094551) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID97094551
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@@H]1CN(CCCc2ccccc2)CCN1c1nccn2cnnc12
InChIInChI=1S/C19H24N6/c1-16-14-23(10-5-8-17-6-3-2-4-7-17)12-13-25(16)18-19-22-21-15-24(19)11-9-20-18/h2-4,6-7,9,11,15-16H,5,8,10,12-14H2,1H3/t16-/m1/s1
InChIKeyXBZWGSKPGHBHAC-MRXNPFEDSA-N
XLogP2.27
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

4-[[(3S)-3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-phenyl-1H-pyrimidin-6-one
CID 164631997
6-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95287837
4-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 71911861
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-2-yl]methanamine
CID 80506375
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
CID 83232450
N,N-dimethyl-2-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]ethanamine
CID 138009063
8-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605310
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
8-[(2R)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 125136281
N-methyl-1-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]methanesulfonamide
CID 146128604

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 97094551) is 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is C[C@@H]1CN(CCCc2ccccc2)CCN1c1nccn2cnnc12.
What is the InChIKey of 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XBZWGSKPGHBHAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6/c1-16-14-23(10-5-8-17-6-3-2-4-7-17)12-13-25(16)18-19-22-21-15-24(19)11-9-20-18/h2-4,6-7,9,11,15-16H,5,8,10,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 336.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 97094551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).